9-(1-benzothiophen-2-yl)-1-phenylpyrrolo[2,3-b]carbazole;4-phenylisoquinoline;1-phenyl-9-(5-phenylpyrazin-2-yl)pyrrolo[2,3-b]carbazole;1-phenyl-9-(6-phenylpyridazin-4-yl)-9a,10-dihydropyrrolo[2,3-b]carbazole;1-phenyl-9-phthalazin-1-ylpyrrolo[2,3-b]carbazole;1-phenyl-9H-pyrrolo[2,3-b]carbazole

C151H103N17S — CID 161282188

IUPAC9-(1-benzothiophen-2-yl)-1-phenylpyrrolo[2,3-b]carbazole;4-phenylisoquinoline;1-phenyl-9-(5-phenylpyrazin-2-yl)pyrrolo[2,3-b]carbazole;1-phenyl-9-(6-phenylpyridazin-4-yl)-9a,10-dihydropyrrolo[2,3-b]carbazole;1-phenyl-9-phthalazin-1-ylpyrrolo[2,3-b]carbazole;1-phenyl-9H-pyrrolo[2,3-b]carbazole
SMILESC1=C2c3ccccc3N(c3cnnc(-c4ccccc4)c3)C2Cc2c1ccn2-c1ccccc1.c1ccc(-c2cnc(-n3c4ccccc4c4cc5ccn(-c6ccccc6)c5cc43)cn2)cc1.c1ccc(-c2cncc3ccccc23)cc1.c1ccc(-n2ccc3cc4c(cc32)[nH]c2ccccc24)cc1.c1ccc(-n2ccc3cc4c5ccccc5n(-c5cc6ccccc6s5)c4cc32)cc1.c1ccc(-n2ccc3cc4c5ccccc5n(-c5nncc6ccccc56)c4cc32)cc1
InChIInChI=1S/C30H22N4.C30H20N4.C28H18N4.C28H18N2S.C20H14N2.C15H11N/c1-3-9-21(10-4-1)27-18-24(20-31-32-27)34-28-14-8-7-13-25(28)26-17-22-15-16-33(29(22)19-30(26)34)23-11-5-2-6-12-23;1-3-9-21(10-4-1)26-19-32-30(20-31-26)34-27-14-8-7-13-24(27)25-17-22-15-16-33(28(22)18-29(25)34)23-11-5-2-6-12-23;1-2-9-21(10-3-1)31-15-14-19-16-24-23-12-6-7-13-25(23)32(27(24)17-26(19)31)28-22-11-5-4-8-20(22)18-29-30-28;1-2-9-21(10-3-1)29-15-14-19-16-23-22-11-5-6-12-24(22)30(26(23)18-25(19)29)28-17-20-8-4-7-13-27(20)31-28;1-2-6-15(7-3-1)22-11-10-14-12-17-16-8-4-5-9-18(16)21-19(17)13-20(14)22;1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15/h1-18,20,30H,19H2;1-20H;1-18H;1-18H;1-13,21H;1-11H
InChIKeyVFFWATKCBPBTFJ-UHFFFAOYSA-N
MW2187.67 g/mol
LogP37.52
Rot. Bonds12

About 9-(1-benzothiophen-2-yl)-1-phenylpyrrolo[2,3-b]carbazole;4-phenylisoquinoline;1-phenyl-9-(5-phenylpyrazin-2-yl)pyrrolo[2,3-b]carbazole;1-phenyl-9-(6-phenylpyridazin-4-yl)-9a,10-dihydropyrrolo[2,3-b]carbazole;1-phenyl-9-phthalazin-1-ylpyrrolo[2,3-b]carbazole;1-phenyl-9H-pyrrolo[2,3-b]carbazole

9-(1-benzothiophen-2-yl)-1-phenylpyrrolo[2,3-b]carbazole;4-phenylisoquinoline;1-phenyl-9-(5-phenylpyrazin-2-yl)pyrrolo[2,3-b]carbazole;1-phenyl-9-(6-phenylpyridazin-4-yl)-9a,10-dihydropyrrolo[2,3-b]carbazole;1-phenyl-9-phthalazin-1-ylpyrrolo[2,3-b]carbazole;1-phenyl-9H-pyrrolo[2,3-b]carbazole (PubChem CID 161282188) has the molecular formula C151H103N17S and a molecular weight of 2187.67 g/mol. Its IUPAC name is 9-(1-benzothiophen-2-yl)-1-phenylpyrrolo[2,3-b]carbazole;4-phenylisoquinoline;1-phenyl-9-(5-phenylpyrazin-2-yl)pyrrolo[2,3-b]carbazole;1-phenyl-9-(6-phenylpyridazin-4-yl)-9a,10-dihydropyrrolo[2,3-b]carbazole;1-phenyl-9-phthalazin-1-ylpyrrolo[2,3-b]carbazole;1-phenyl-9H-pyrrolo[2,3-b]carbazole.

Molecular Properties

Compound Name9-(1-benzothiophen-2-yl)-1-phenylpyrrolo[2,3-b]carbazole;4-phenylisoquinoline;1-phenyl-9-(5-phenylpyrazin-2-yl)pyrrolo[2,3-b]carbazole;1-phenyl-9-(6-phenylpyridazin-4-yl)-9a,10-dihydropyrrolo[2,3-b]carbazole;1-phenyl-9-phthalazin-1-ylpyrrolo[2,3-b]carbazole;1-phenyl-9H-pyrrolo[2,3-b]carbazole
PubChem CID161282188
Molecular FormulaC151H103N17S
Molecular Weight2187.67 g/mol
Exact Mass2185.83
IUPAC Name9-(1-benzothiophen-2-yl)-1-phenylpyrrolo[2,3-b]carbazole;4-phenylisoquinoline;1-phenyl-9-(5-phenylpyrazin-2-yl)pyrrolo[2,3-b]carbazole;1-phenyl-9-(6-phenylpyridazin-4-yl)-9a,10-dihydropyrrolo[2,3-b]carbazole;1-phenyl-9-phthalazin-1-ylpyrrolo[2,3-b]carbazole;1-phenyl-9H-pyrrolo[2,3-b]carbazole
SMILESC1=C2c3ccccc3N(c3cnnc(-c4ccccc4)c3)C2Cc2c1ccn2-c1ccccc1.c1ccc(-c2cnc(-n3c4ccccc4c4cc5ccn(-c6ccccc6)c5cc43)cn2)cc1.c1ccc(-c2cncc3ccccc23)cc1.c1ccc(-n2ccc3cc4c(cc32)[nH]c2ccccc24)cc1.c1ccc(-n2ccc3cc4c5ccccc5n(-c5cc6ccccc6s5)c4cc32)cc1.c1ccc(-n2ccc3cc4c5ccccc5n(-c5nncc6ccccc56)c4cc32)cc1
InChIInChI=1S/C30H22N4.C30H20N4.C28H18N4.C28H18N2S.C20H14N2.C15H11N/c1-3-9-21(10-4-1)27-18-24(20-31-32-27)34-28-14-8-7-13-25(28)26-17-22-15-16-33(29(22)19-30(26)34)23-11-5-2-6-12-23;1-3-9-21(10-4-1)26-19-32-30(20-31-26)34-27-14-8-7-13-24(27)25-17-22-15-16-33(28(22)18-29(25)34)23-11-5-2-6-12-23;1-2-9-21(10-3-1)31-15-14-19-16-24-23-12-6-7-13-25(23)32(27(24)17-26(19)31)28-22-11-5-4-8-20(22)18-29-30-28;1-2-9-21(10-3-1)29-15-14-19-16-23-22-11-5-6-12-24(22)30(26(23)18-25(19)29)28-17-20-8-4-7-13-27(20)31-28;1-2-6-15(7-3-1)22-11-10-14-12-17-16-8-4-5-9-18(16)21-19(17)13-20(14)22;1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15/h1-18,20,30H,19H2;1-20H;1-18H;1-18H;1-13,21H;1-11H
InChIKeyVFFWATKCBPBTFJ-UHFFFAOYSA-N
XLogP37.52
TPSA148.70 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002187.67
LogP ≤ 537.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 9-(1-benzothiophen-2-yl)-1-phenylpyrrolo[2,3-b]carbazole;4-phenylisoquinoline;1-phenyl-9-(5-phenylpyrazin-2-yl)pyrrolo[2,3-b]carbazole;1-phenyl-9-(6-phenylpyridazin-4-yl)-9a,10-dihydropyrrolo[2,3-b]carbazole;1-phenyl-9-phthalazin-1-ylpyrrolo[2,3-b]carbazole;1-phenyl-9H-pyrrolo[2,3-b]carbazole with MolForge

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Related Compounds

2-[2-fluoro-5-(1H-indazol-3-yl)-1-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyridin-3-yl]thieno[3,2-b]pyridine
CID 141325335
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 145034290
1-(1-benzothiophen-2-yl)-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(1-(1H-inden-5-yl)-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine);1-(3H-inden-1-yl)-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1-(1H-indol-2-yl)-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1-naphthalen-2-yl-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;1-phenyl-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 157230457
5-tert-butyl-1-methyl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 159439054
2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
CID 159820862
5-tert-butyl-1-methyl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 160060630
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;methane
CID 161234517
3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 161533387
(9S)-4,5,9,13-tetramethyl-7-[4-[4-[[4-[6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]phenyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
CID 177266701
4,5,9,13-Tetramethyl-7-[4-[4-[[4-[6-[7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]phenyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
CID 177318997
5-[7-[5-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-methylthiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137031883
3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline
CID 140971019

Frequently Asked Questions

What is the IUPAC name of 9-(1-benzothiophen-2-yl)-1-phenylpyrrolo[2,3-b]carbazole;4-phenylisoquinoline;1-phenyl-9-(5-phenylpyrazin-2-yl)pyrrolo[2,3-b]carbazole;1-phenyl-9-(6-phenylpyridazin-4-yl)-9a,10-dihydropyrrolo[2,3-b]carbazole;1-phenyl-9-phthalazin-1-ylpyrrolo[2,3-b]carbazole;1-phenyl-9H-pyrrolo[2,3-b]carbazole?
The IUPAC name of 9-(1-benzothiophen-2-yl)-1-phenylpyrrolo[2,3-b]carbazole;4-phenylisoquinoline;1-phenyl-9-(5-phenylpyrazin-2-yl)pyrrolo[2,3-b]carbazole;1-phenyl-9-(6-phenylpyridazin-4-yl)-9a,10-dihydropyrrolo[2,3-b]carbazole;1-phenyl-9-phthalazin-1-ylpyrrolo[2,3-b]carbazole;1-phenyl-9H-pyrrolo[2,3-b]carbazole (CID 161282188) is 9-(1-benzothiophen-2-yl)-1-phenylpyrrolo[2,3-b]carbazole;4-phenylisoquinoline;1-phenyl-9-(5-phenylpyrazin-2-yl)pyrrolo[2,3-b]carbazole;1-phenyl-9-(6-phenylpyridazin-4-yl)-9a,10-dihydropyrrolo[2,3-b]carbazole;1-phenyl-9-phthalazin-1-ylpyrrolo[2,3-b]carbazole;1-phenyl-9H-pyrrolo[2,3-b]carbazole.
What is the SMILES notation for 9-(1-benzothiophen-2-yl)-1-phenylpyrrolo[2,3-b]carbazole;4-phenylisoquinoline;1-phenyl-9-(5-phenylpyrazin-2-yl)pyrrolo[2,3-b]carbazole;1-phenyl-9-(6-phenylpyridazin-4-yl)-9a,10-dihydropyrrolo[2,3-b]carbazole;1-phenyl-9-phthalazin-1-ylpyrrolo[2,3-b]carbazole;1-phenyl-9H-pyrrolo[2,3-b]carbazole?
The canonical SMILES for 9-(1-benzothiophen-2-yl)-1-phenylpyrrolo[2,3-b]carbazole;4-phenylisoquinoline;1-phenyl-9-(5-phenylpyrazin-2-yl)pyrrolo[2,3-b]carbazole;1-phenyl-9-(6-phenylpyridazin-4-yl)-9a,10-dihydropyrrolo[2,3-b]carbazole;1-phenyl-9-phthalazin-1-ylpyrrolo[2,3-b]carbazole;1-phenyl-9H-pyrrolo[2,3-b]carbazole is C1=C2c3ccccc3N(c3cnnc(-c4ccccc4)c3)C2Cc2c1ccn2-c1ccccc1.c1ccc(-c2cnc(-n3c4ccccc4c4cc5ccn(-c6ccccc6)c5cc43)cn2)cc1.c1ccc(-c2cncc3ccccc23)cc1.c1ccc(-n2ccc3cc4c(cc32)[nH]c2ccccc24)cc1.c1ccc(-n2ccc3cc4c5ccccc5n(-c5cc6ccccc6s5)c4cc32)cc1.c1ccc(-n2ccc3cc4c5ccccc5n(-c5nncc6ccccc56)c4cc32)cc1.
What is the InChIKey of 9-(1-benzothiophen-2-yl)-1-phenylpyrrolo[2,3-b]carbazole;4-phenylisoquinoline;1-phenyl-9-(5-phenylpyrazin-2-yl)pyrrolo[2,3-b]carbazole;1-phenyl-9-(6-phenylpyridazin-4-yl)-9a,10-dihydropyrrolo[2,3-b]carbazole;1-phenyl-9-phthalazin-1-ylpyrrolo[2,3-b]carbazole;1-phenyl-9H-pyrrolo[2,3-b]carbazole?
The InChIKey is VFFWATKCBPBTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4.C30H20N4.C28H18N4.C28H18N2S.C20H14N2.C15H11N/c1-3-9-21(10-4-1)27-18-24(20-31-32-27)34-28-14-8-7-13-25(28)26-17-22-15-16-33(29(22)19-30(26)34)23-11-5-2-6-12-23;1-3-9-21(10-4-1)26-19-32-30(20-31-26)34-27-14-8-7-13-24(27)25-17-22-15-16-33(28(22)18-29(25)34)23-11-5-2-6-12-23;1-2-9-21(10-3-1)31-15-14-19-16-24-23-12-6-7-13-25(23)32(27(24)17-26(19)31)28-22-11-5-4-8-20(22)18-29-30-28;1-2-9-21(10-3-1)29-15-14-19-16-23-22-11-5-6-12-24(22)30(26(23)18-25(19)29)28-17-20-8-4-7-13-27(20)31-28;1-2-6-15(7-3-1)22-11-10-14-12-17-16-8-4-5-9-18(16)21-19(17)13-20(14)22;1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15/h1-18,20,30H,19H2;1-20H;1-18H;1-18H;1-13,21H;1-11H.
What are the key properties of 9-(1-benzothiophen-2-yl)-1-phenylpyrrolo[2,3-b]carbazole;4-phenylisoquinoline;1-phenyl-9-(5-phenylpyrazin-2-yl)pyrrolo[2,3-b]carbazole;1-phenyl-9-(6-phenylpyridazin-4-yl)-9a,10-dihydropyrrolo[2,3-b]carbazole;1-phenyl-9-phthalazin-1-ylpyrrolo[2,3-b]carbazole;1-phenyl-9H-pyrrolo[2,3-b]carbazole?
9-(1-benzothiophen-2-yl)-1-phenylpyrrolo[2,3-b]carbazole;4-phenylisoquinoline;1-phenyl-9-(5-phenylpyrazin-2-yl)pyrrolo[2,3-b]carbazole;1-phenyl-9-(6-phenylpyridazin-4-yl)-9a,10-dihydropyrrolo[2,3-b]carbazole;1-phenyl-9-phthalazin-1-ylpyrrolo[2,3-b]carbazole;1-phenyl-9H-pyrrolo[2,3-b]carbazole has a molecular weight of 2187.67 g/mol, XLogP of 37.52, 12 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-benzothiophen-2-yl)-1-phenylpyrrolo[2,3-b]carbazole;4-phenylisoquinoline;1-phenyl-9-(5-phenylpyrazin-2-yl)pyrrolo[2,3-b]carbazole;1-phenyl-9-(6-phenylpyridazin-4-yl)-9a,10-dihydropyrrolo[2,3-b]carbazole;1-phenyl-9-phthalazin-1-ylpyrrolo[2,3-b]carbazole;1-phenyl-9H-pyrrolo[2,3-b]carbazole is sourced from PubChem (CID 161282188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).